摘要
用分子轨道理论推导了3d3离子在立方晶体场中的哈密顿矩阵,并计算了V2+在ZnS中的吸收光谱.与其他近似方法相比较,该计算结果与实验符合得好,表明V2+在ZnS中,共价因素和Racah参量A的贡献是很大的.理论计算出的一条近红外谱线有待实验的进一步检验.
In this paper the Hamihonian matrices for 3d^3 ions in cubic crystal field are derived based on a molecular-orbital model, and the absorption spectra of V^2+ ions ZnS are calculated. The good agreement between the present results and the experimental obser- vations indicates that the contribution from the covalency factors and the Racab parameter A to the absorption spectra of V^2+ ions in ZnS is important. In addition, a theoretical near-infrared line presented is in need of further test of experimental studies.
出处
《四川师范大学学报(自然科学版)》
CAS
CSCD
北大核心
2008年第2期211-214,共4页
Journal of Sichuan Normal University(Natural Science)
基金
四川省教育厅自然科学重点基金(2005A089)资助项目